CHEMBL1094491
| SMILES | CCOC(=O)CCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C |
| InChIKey | XHEVEBXHVNJAJJ-IRPUWQMBSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 396.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.32 | 6.32 | 6.32 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.9 | 6.9 | 6.9 | ChEMBL |